N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide

C27H23NO4 — CID 19938149

IUPACN-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2C(c2ccc(O)cc2)c2ccc(O)cc2)c1
InChIInChI=1S/C27H23NO4/c1-32-23-6-4-5-20(17-23)27(31)28-25-8-3-2-7-24(25)26(18-9-13-21(29)14-10-18)19-11-15-22(30)16-12-19/h2-17,26,29-30H,1H3,(H,28,31)
InChIKeyOZHXDSUFWNFIHK-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.54
Rot. Bonds6

About N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide

N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide (PubChem CID 19938149) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide
PubChem CID19938149
Molecular FormulaC27H23NO4
Molecular Weight425.48 g/mol
Exact Mass425.16
IUPAC NameN-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2C(c2ccc(O)cc2)c2ccc(O)cc2)c1
InChIInChI=1S/C27H23NO4/c1-32-23-6-4-5-20(17-23)27(31)28-25-8-3-2-7-24(25)26(18-9-13-21(29)14-10-18)19-11-15-22(30)16-12-19/h2-17,26,29-30H,1H3,(H,28,31)
InChIKeyOZHXDSUFWNFIHK-UHFFFAOYSA-N
XLogP5.54
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide
CID 114304807
3-methoxy-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507956
2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide
CID 15296782
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167
2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
CID 104832964
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
3-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46756320
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide (CID 19938149) is N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccccc2C(c2ccc(O)cc2)c2ccc(O)cc2)c1.
What is the InChIKey of N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide?
The InChIKey is OZHXDSUFWNFIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c1-32-23-6-4-5-20(17-23)27(31)28-25-8-3-2-7-24(25)26(18-9-13-21(29)14-10-18)19-11-15-22(30)16-12-19/h2-17,26,29-30H,1H3,(H,28,31).
What are the key properties of N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide?
N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide has a molecular weight of 425.48 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 19938149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).